SCHEMBL4882468

SCHEMBL4882468

COc1ccc(S(=O)(=O)N[C@@H](CCCCN)C(=O)O)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.63
MMP9 P14780 3/20 0.63
KMT2A Q03164 2/20 0.48
ITGB3 P05106 2/20 0.47
ITGAV P06756 2/20 0.47
RAB9A P51151 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
MAPK1 P28482 1/20 0.44
ITGA2B P08514 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4882479 1.00 MMP2 (0.63) MMP2MMP9KMT2AITGB3ITGAV
SCHEMBL7066825 0.81 KDM4E (0.60) MMP2MMP9KMT2AITGB3ITGAV
SCHEMBL457772 0.80 MMP9 (0.76) MMP2MMP9ITGB3ITGA2BCA1
SCHEMBL10585071 0.80 MMP9 (0.76) MMP2MMP9ITGB3ITGA2BCA1
SCHEMBL8001084 0.80 MMP9 (0.76) MMP2MMP9ITGB3ITGA2BCA1
SCHEMBL4599862 0.80 MMP2 (0.67) MMP2MMP9KMT2AITGB3RAB9A
SCHEMBL4599857 0.80 MMP2 (0.67) MMP2MMP9KMT2AITGB3RAB9A
Hydrochloric Acid SCHEMBL9087107 0.79 MMP9 (0.74) MMP2MMP9ITGB3ITGA2BCA1
SCHEMBL7449150 0.79 ITGB3 (0.46) MMP2MMP9KMT2AITGB3ITGAV
SCHEMBL8715885 0.79 MMP9 (0.73) MMP2MMP9ITGB3ITGA2BPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 MMP2 1319/4885MMP9 1398/4885KMT2A 3406/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH MMP2 745/4885MMP9 1098/4885KMT2A 1805/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.